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canSAR2091845
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NAMES
    SMILES
    COc1cc(-c2cc(N[C@@H]3CCCc4ccccc43)nc(C)n2)ccc1C(N)=O
    InChI
    InChI=1S/C23H24N4O2/c1-14-25-20(16-10-11-18(23(24)28)21(12-16)29-2)13-22(26-14)27-19-9-5-7-15-6-3-4-8-17(15)19/h3-4,6,8,10-13,19H,5,7,9H2,1-2H3,(H2,24,28)(H,25,26,27)/t19-/m1/s1
    MOLECULAR FORMULA
    C23H24N4O2
    CROSS REFERENCES
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    canSAR2091845

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 388.19
    AlogP 4.05
    HBond donors 3
    HBond acceptors 6
    Atoms 53
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2091845.